SCHEMBL1468909

SCHEMBL1468909

C=CCc1ccccc1N(N)CC=C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
C5AR1 P21730 1/20 0.34
ADRA2B P18089 6/20 0.34
ADRA2C P18825 6/20 0.34
ADRA2A P08913 5/20 0.34
HTR1A P08908 3/20 0.33
NISCH Q9Y2I1 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
KCNH2 Q12809 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2788522 0.81 GABRA1 (0.41) GABRA1GABRB2C5AR1ADRA2BADRA2C
SCHEMBL8614499 0.78 GABRA1 (0.39) GABRA1GABRB2C5AR1ADRA2BADRA2C
SCHEMBL84249 0.76 GABRA1 (0.38) GABRA1GABRB2C5AR1ADRA2BADRA2C
SCHEMBL8519275 0.76 KEAP1 (0.40) ALDH1A1HTTKDM4E
SCHEMBL7302336 0.76 C5AR1 (0.35) C5AR1ALDH1A1LMNAHTT
SCHEMBL2586271 0.75 GABRA1 (0.47) GABRA1GABRB2ADRA2BADRA2CADRA2A
SCHEMBL8755334 0.75 GABRA1 (0.42) GABRA1GABRB2ADRA2BADRA2CADRA2A
Hydrochloric Acid SCHEMBL29044792 0.73 GABRA1 (0.41) GABRA1GABRB2ADRA2BADRA2CADRA2A
SCHEMBL5490438 0.73 KMT2A (0.41) C5AR1ALDH1A1LMNAHTTKDM4E
SCHEMBL9274584 0.73 TSHR (0.40) GABRA1GABRB2C5AR1ADRA2BADRA2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds BAYER CROPSCIENCE AG 2011-03-24 US disclosed
US-20040102635-A1 Novel tetrazolinone derivatives YANAGI AKIHIKO (JP) 2004-05-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds DDT, PRDX4, CYP4X1 GABRA1 2024/4885GABRB2 1790/4885C5AR1 1171/4885
US-20040102635-A1 Novel tetrazolinone derivatives CBR1, CBR3, CYP1B1 GABRA1 1837/4885GABRB2 2192/4885C5AR1 3696/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.